Structural feature based computational approach of toxicity prediction of ionic liquids: Cationic and anionic effects on ionic liquids toxicity

出版年份 2016 全文链接

标题

作者

关键词

Ionic liquid, DFT, Toxicity, Electrophilicity index, E, HOMO, E, LUMO, Cations, Anions

出版物

Volume 224, Issue -, Pages 393-400

出版商

Elsevier BV

发表日期

2016-10-07

DOI

10.1016/j.molliq.2016.09.120

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